4-oxo-6-[(3S)-2-oxo-3-phenyl-3-[(4-phenylbenzoyl)amino]propyl]-1H-quinoline-3-carboxylic acid

C32H24N2O5 — CID 159472944

About 4-oxo-6-[(3S)-2-oxo-3-phenyl-3-[(4-phenylbenzoyl)amino]propyl]-1H-quinoline-3-carboxylic acid

4-oxo-6-[(3S)-2-oxo-3-phenyl-3-[(4-phenylbenzoyl)amino]propyl]-1H-quinoline-3-carboxylic acid (PubChem CID 159472944) has the molecular formula C32H24N2O5 and a molecular weight of 516.55 g/mol. Its IUPAC name is 4-oxo-6-[(3S)-2-oxo-3-phenyl-3-[(4-phenylbenzoyl)amino]propyl]-1H-quinoline-3-carboxylic acid.

Molecular Properties

• Compound Name: 4-oxo-6-[(3S)-2-oxo-3-phenyl-3-[(4-phenylbenzoyl)amino]propyl]-1H-quinoline-3-carboxylic acid
• PubChem CID: 159472944
• Molecular Formula: C32H24N2O5
• Molecular Weight: 516.55 g/mol
• Exact Mass: 516.17
• IUPAC Name: 4-oxo-6-[(3S)-2-oxo-3-phenyl-3-[(4-phenylbenzoyl)amino]propyl]-1H-quinoline-3-carboxylic acid
• SMILES: O=C(N[C@H](C(=O)Cc1ccc2[nH]cc(C(=O)O)c(=O)c2c1)c1ccccc1)c1ccc(-c2ccccc2)cc1
• InChI: InChI=1S/C32H24N2O5/c35-28(18-20-11-16-27-25(17-20)30(36)26(19-33-27)32(38)39)29(23-9-5-2-6-10-23)34-31(37)24-14-12-22(13-15-24)21-7-3-1-4-8-21/h1-17,19,29H,18H2,(H,33,36)(H,34,37)(H,38,39)/t29-/m0/s1
• InChIKey: LWAIHLNDNNYCKB-LJAQVGFWSA-N
• XLogP: 5.18
• TPSA: 116.33 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	516.55
LogP ≤ 5	5.18
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-oxo-6-[(3S)-2-oxo-3-phenyl-3-[(4-phenylbenzoyl)amino]propyl]-1H-quinoline-3-carboxylic acid?

The IUPAC name of 4-oxo-6-[(3S)-2-oxo-3-phenyl-3-[(4-phenylbenzoyl)amino]propyl]-1H-quinoline-3-carboxylic acid (CID 159472944) is 4-oxo-6-[(3S)-2-oxo-3-phenyl-3-[(4-phenylbenzoyl)amino]propyl]-1H-quinoline-3-carboxylic acid.

What is the SMILES notation for 4-oxo-6-[(3S)-2-oxo-3-phenyl-3-[(4-phenylbenzoyl)amino]propyl]-1H-quinoline-3-carboxylic acid?

The canonical SMILES for 4-oxo-6-[(3S)-2-oxo-3-phenyl-3-[(4-phenylbenzoyl)amino]propyl]-1H-quinoline-3-carboxylic acid is O=C(N[C@H](C(=O)Cc1ccc2[nH]cc(C(=O)O)c(=O)c2c1)c1ccccc1)c1ccc(-c2ccccc2)cc1.

What is the InChIKey of 4-oxo-6-[(3S)-2-oxo-3-phenyl-3-[(4-phenylbenzoyl)amino]propyl]-1H-quinoline-3-carboxylic acid?

The InChIKey is LWAIHLNDNNYCKB-LJAQVGFWSA-N. The full InChI is InChI=1S/C32H24N2O5/c35-28(18-20-11-16-27-25(17-20)30(36)26(19-33-27)32(38)39)29(23-9-5-2-6-10-23)34-31(37)24-14-12-22(13-15-24)21-7-3-1-4-8-21/h1-17,19,29H,18H2,(H,33,36)(H,34,37)(H,38,39)/t29-/m0/s1.

What are the key properties of 4-oxo-6-[(3S)-2-oxo-3-phenyl-3-[(4-phenylbenzoyl)amino]propyl]-1H-quinoline-3-carboxylic acid?

4-oxo-6-[(3S)-2-oxo-3-phenyl-3-[(4-phenylbenzoyl)amino]propyl]-1H-quinoline-3-carboxylic acid has a molecular weight of 516.55 g/mol, XLogP of 5.18, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-oxo-6-[(3S)-2-oxo-3-phenyl-3-[(4-phenylbenzoyl)amino]propyl]-1H-quinoline-3-carboxylic acid is sourced from PubChem (CID 159472944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).